Merge branch 'main' into store_node_viewer

.dockerignore

@@ -0,0 +1,16 @@
+**/*.egg-info
+**/__pycache__
+**/.*_cache
+**/*.pyc
+**/*.tar.gz
+*.code-workspace
+**/.*.ipynb
+**/.ipynb*
+.venv/
+build/
+export/
+.do-not-setup-on-localhost
+
+# Sphinx documentation
+docs/html
+screenshots/

.github/dependabot.yml

@@ -0,0 +1,12 @@
+---
+version: 2
+updates:
+# Maintain dependencies for GitHub Actions
+    - package-ecosystem: github-actions
+      directory: /
+      schedule:
+          interval: monthly
+      groups:
+          gha-dependencies:
+              patterns:
+                  - '*'

.github/workflows/ci.yml

@@ -1,7 +1,7 @@
 ---
 # Run basic tests for this app
 
-name: continuous-integration
+name: CI
 
 on: [push, pull_request]
 
@@ -11,42 +11,17 @@ concurrency:
     group: ${{ github.workflow }}-${{ github.ref }}
     cancel-in-progress: true
 
-jobs:
-
-    pre-commit:
-    # Adapted from: https://github.com/CasperWA/voila-optimade-client
-
-        runs-on: ubuntu-latest
-
-        steps:
-            - uses: actions/checkout@v3
-
-            - name: Setup Python
-              uses: actions/setup-python@v4
-              with:
-                  python-version: '3.10'
-                  cache: pip
-                  cache-dependency-path: |
-                      .pre-commit-config.yaml
-                      **/setup.cfg
-                      **/pyproject.toml
-                      **/requirements*.txt
-
-            - name: Install dependencies
-              run: python -m pip install pre-commit~=2.20
-
-            - name: Run pre-commit
-              run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
+env:
+    FORCE_COLOR: 1
 
+jobs:
 
     test-package:
 
-        needs: [pre-commit]
-
         strategy:
             matrix:
-                tag: [latest]
-                python-version: ['3.8', '3.9', '3.10']
+                python-version: ['3.9', '3.11']
+                aiida-core-version: ['2.3', '2.6']
             fail-fast: false
 
         runs-on: ubuntu-latest
@@ -61,26 +36,29 @@ jobs:
         steps:
 
             - name: Check out app
-              uses: actions/checkout@v3
+              uses: actions/checkout@v4
 
             - name: Set up Python
-              uses: actions/setup-python@v4
+              uses: actions/setup-python@v5
               with:
                   python-version: ${{ matrix.python-version }}
-                  cache: pip
-                  cache-dependency-path: |
-                      **/setup.cfg
-                      **/pyproject.toml
-                      **/requirements*.txt
+
+            - name: Install uv
+              uses: astral-sh/setup-uv@v1
+              with:
+                  version: 0.4.7
+
             - name: Install package
-              run: pip install -e .[dev]
+              run: uv pip install --system -e .[dev] aiida-core==${{ matrix.aiida-core-version }}
 
             - name: Run pytest
-              run: pytest -v tests --cov
-              env:
-                  TAG: ${{ matrix.tag }}
+              # Only collect code coverage with aiida-core=2.3, to speed up tests
+              # with higher aiida versions that for some reason run slower, see:
+              # https://github.com/aiidalab/aiidalab-qe/issues/766
+              run: pytest -v tests ${{ matrix.aiida-core-version == '2.3' && '--cov=aiidalab_qe' || '' }}
 
             - name: Upload coverage reports to Codecov
-              uses: codecov/codecov-action@v3
+              uses: codecov/codecov-action@v4
               with:
                   flags: python-${{ matrix.python-version }}
+                  token: ${{ secrets.CODECOV_TOKEN }}